naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate

C20H17FO4S — CID 7624005

IUPACnaphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)OCc1cccc2ccccc12
InChIInChI=1S/C20H17FO4S/c21-17-8-10-18(11-9-17)26(23,24)13-12-20(22)25-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14H2
InChIKeyDYWHNYUCBWHYAH-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.89
Rot. Bonds6

About naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate

naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate (PubChem CID 7624005) has the molecular formula C20H17FO4S and a molecular weight of 372.42 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate
PubChem CID7624005
Molecular FormulaC20H17FO4S
Molecular Weight372.42 g/mol
Exact Mass372.08
IUPAC Namenaphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)OCc1cccc2ccccc12
InChIInChI=1S/C20H17FO4S/c21-17-8-10-18(11-9-17)26(23,24)13-12-20(22)25-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14H2
InChIKeyDYWHNYUCBWHYAH-UHFFFAOYSA-N
XLogP3.89
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)sulfonyl-N-naphthalen-1-ylpropanamide
CID 7254373
naphthalen-1-ylmethyl (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 8936257
[2-(4-fluorophenyl)-2-oxoethyl] 3-naphthalen-2-ylsulfonylpropanoate
CID 19646566
naphthalen-1-ylmethyl propanoate
CID 13262702
(2-nitrophenyl)methyl 3-(4-chlorophenyl)sulfonylpropanoate
CID 8874110
3-(naphthalen-1-ylmethoxy)-3-oxopropanoic acid
CID 19783487
(4-methylphenyl)methyl 3-(4-methylphenyl)sulfonylpropanoate
CID 55303928
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7624047
sodium naphthalen-1-ylmethyl hydrogen sulfate
CID 23620056
naphthalen-1-ylmethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
CID 8837154
4-fluoro-N-methyl-N-(2-naphthalen-1-ylethyl)benzenesulfonamide
CID 154857610
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 3-(4-fluorophenyl)sulfonylpropanoate
CID 7651210

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate?
The IUPAC name of naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate (CID 7624005) is naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate?
The canonical SMILES for naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate is O=C(CCS(=O)(=O)c1ccc(F)cc1)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate?
The InChIKey is DYWHNYUCBWHYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO4S/c21-17-8-10-18(11-9-17)26(23,24)13-12-20(22)25-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-11H,12-14H2.
What are the key properties of naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate?
naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate has a molecular weight of 372.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3-(4-fluorophenyl)sulfonylpropanoate is sourced from PubChem (CID 7624005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).